Geometry & MOs

Info

ID:	206588
PubChem CID:	80269671
Reduced:	Br3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	306.0231
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	2.17
IP(EA), eV:	-9.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(1-methylcyclopentyl)methyl]-1,3,5-trifluorobenzene

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)C(C2=C(C=CC(=C2)Br)Br)Br

DOS

IR

Vibrations